5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine

C11H10BrClN4 — CID 114071876

IUPAC5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccc(Cl)cc2)c1Br
InChIInChI=1S/C11H10BrClN4/c1-14-10-9(12)11(16-6-15-10)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyAGTAHRKKYGIEOJ-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.68
Rot. Bonds3

About 5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine

5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 114071876) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is 5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID114071876
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccc(Cl)cc2)c1Br
InChIInChI=1S/C11H10BrClN4/c1-14-10-9(12)11(16-6-15-10)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyAGTAHRKKYGIEOJ-UHFFFAOYSA-N
XLogP3.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80760820
5-bromo-4-N-(2-chloro-6-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114072824
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995
5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071836
5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761431
5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071894
6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135249
5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071867
5-bromo-N,6-dimethylpyrimidin-4-amine
CID 56592979
5-bromo-6-(4-chloro-2-methylphenoxy)-N-methylpyrimidin-4-amine
CID 114073252
4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80761074

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine (CID 114071876) is 5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1ncnc(Nc2ccc(Cl)cc2)c1Br.
What is the InChIKey of 5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is AGTAHRKKYGIEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-14-10-9(12)11(16-6-15-10)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 313.59 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114071876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).